salmeterol   Click here for help

GtoPdb Ligand ID: 559

Synonyms: GR 33343X | Serevent®
Approved drug Immunopharmacology Ligand
salmeterol is an approved drug (FDA (1994), EMA (2016))
Compound class: Synthetic organic
Comment: Marketed formulations may contain salmeterol xinafoate (PubChem CID 56801).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 16
Topological polar surface area 81.95
Molecular weight 415.27
XLogP 4.18
No. Lipinski's rules broken 1
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Canonical SMILES OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O
Isomeric SMILES OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O
InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
β2-adrenoceptor Primary target of this compound Hs Agonist Partial agonist 6.8 – 9.3 pKi - 1-2,4
pKi 6.8 – 9.3 [1-2,4]
β2-adrenoceptor Hs Agonist Partial agonist 9.2 – 9.9 pEC50 - 1,3
pEC50 9.2 – 9.9 [1,3]
Ligand mentioned in the following text fields